2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
Compound ID: | C716-0086 |
Compound Name: | 2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide |
Molecular Weight: | 461.58 |
Molecular Formula: | C20 H19 N3 O4 S3 |
Smiles: | Cc1ccc(cc1)S(C1=CN=C(NC1=O)SCC(Nc1cccc(c1)SC)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9028 |
logD: | 1.2611 |
logSw: | -3.4469 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.14 |
InChI Key: | OTCYBPHJSIPTIZ-UHFFFAOYSA-N |